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Information card for entry 8104975
Preview
| Coordinates | 8104975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H48 N4 O2 |
|---|---|
| Calculated formula | C54 H48 N4 O2 |
| Title of publication | Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(pyren-1-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C54H48N4O2 |
| Authors of publication | Wu, Jinping; Li, Kaihao; Lan, Hairong; Chu, Yixin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 113 - 116 |
| a | 11.1883 ± 0.0005 Å |
| b | 13.5364 ± 0.0005 Å |
| c | 14.3412 ± 0.0005 Å |
| α | 105.885 ± 0.003° |
| β | 97.71 ± 0.003° |
| γ | 94.126 ± 0.003° |
| Cell volume | 2056.64 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1114 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274169 (current) | 2022-03-31 | cif/ Adding structures of 8104975 via cif-deposit CGI script. |
8104975.cif |
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Users of the data should acknowledge the original authors of the
structural data.